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28790-65-0 | Pyridine, 2,2'-(1,2-ethynediyl)bis-
CAS No: 28790-65-0 Catalog No: AG002WHE MDL No:
Product Description
Catalog Number:
AG002WHE
Chemical Name:
Pyridine, 2,2'-(1,2-ethynediyl)bis-
CAS Number:
28790-65-0
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
IUPAC Name:
2-(2-pyridin-2-ylethynyl)pyridine
InChI:
InChI=1S/C12H8N2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1-6,9-10H
InChI Key:
OPQIJJIIYSMPOE-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)C#Cc1ccccn1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.21g/mol
Monoisotopic Mass:
180.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Hysteresis in the physisorption of CO2 and N2 in a flexible pillared layer nickel cyanide. | Journal of the American Chemical Society 20080917 |
| Bis[mu-1,2-bis(2-pyridyl)ethyne-kappa(2)N:N']bis[aquadinitratocadmium(II)]. | Acta crystallographica. Section C, Crystal structure communications 20030601 |
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